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CS-W001157 4
Total: USD 88.00

Ethyl 4-oxo-3H-phthalazin-1-ylacetate

  • CAS No. 25947-13-1

  • Cat. No. CS-0089661
  • Molecule weight232.24
  • Purity95+%
  • MDL No.MFCD00024142

*For research and further manufacturing use only, not for direct human use.

Ethyl 4-oxo-3H-phthalazin-1-ylacetate|CS-0089661

Structure of 25947-13-1

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General Information

  • CAS No. 25947-13-1
  • Cat. No. CS-0089661
  • Purity 95+%
  • MDL No. MFCD00024142
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂N₂O₃
  • Molecular Weight 232.24
  • Synonym(s) None
  • SMILES O=C(CC1=NNC(C2=C1C=CC=C2)=O)OCC

Synthesis

  • Route1
    • (E)-Ethyl 2-(3-oxoisobenzofuran-1(3h)-ylidene)acetate|CS-0749280
      57691-07-3
    • ~71%
    • Ethyl 4-oxo-3H-phthalazin-1-ylacetate|CS-0089661
      25947-13-1

    References

    • Agrawal, Madhavi; Kharkar, Prashant; Moghe, Sonali; Mahajan, Tushar; Deka, Vaishali; Thakkar, Chandni; Nair, Amrutha; Mehta, Chirag; Bose, Julie; Kulkarni-Almeida, Asha; Bhedi, Dilip; Vishwakarma, Ram A. Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 20 p. 5740 - 5743
  • Route2
    • null|null
      13141-32-7
    • ~86%
    • Ethyl 4-oxo-3H-phthalazin-1-ylacetate|CS-0089661
      25947-13-1

    References

    • Sriram, Dharmarajan; Yogeeswari, Perumal; Senthilkumar, Palaniappan; Sangaraju, Dewakar; Nelli, Rohit; Banerjee, Debjani; Bhat, Pritesh; Manjashetty, Thimmappa H. Chemical Biology and Drug Design, 2010 , vol. 75, # 4 p. 381 - 391
  • Route3
    • null|null
      85-44-9
    • ~%
    • Ethyl 4-oxo-3H-phthalazin-1-ylacetate|CS-0089661
      25947-13-1

    References

    • Journal of Organic Chemistry, , vol. 56, # 7 p. 2587 - 2589

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   72.05
  • LogP   1.0287
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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